Mol:FLIDHXNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8621 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8621 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8621 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8621 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3963 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3963 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0694 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0694 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0694 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0694 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3963 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3963 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5352 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5352 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0010 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0010 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0010 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0010 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5352 1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5352 1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3087 1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3087 1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7552 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7552 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7552 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7552 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3087 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3087 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6470 -0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6470 -0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1819 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1819 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4007 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4007 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4981 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4981 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0329 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0329 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2517 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2517 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9356 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9356 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3490 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3490 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6441 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6441 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1149 -0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1149 -0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1650 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1650 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3490 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3490 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 8 1 0 0 0 0 | + | 17 8 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 8 23 1 6 0 0 0 | + | 8 23 1 6 0 0 0 |
| − | 7 24 1 6 0 0 0 | + | 7 24 1 6 0 0 0 |
| − | 12 25 1 1 0 0 0 | + | 12 25 1 1 0 0 0 |
| − | 12 26 1 6 0 0 0 | + | 12 26 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNP0002 | + | ID FLIDHXNP0002 |
| − | KNApSAcK_ID C00002531 | + | KNApSAcK_ID C00002531 |
| − | NAME (-)-Glyceollin II | + | NAME (-)-Glyceollin II |
| − | CAS_RN 67314-98-1 | + | CAS_RN 67314-98-1 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c(O)5)cc(c(c5)1)C(C4)(O)C([H])(c(c3)c(O4)cc(c32)OC(C=C2)(C)C)O1 | + | SMILES c(c(O)5)cc(c(c5)1)C(C4)(O)C([H])(c(c3)c(O4)cc(c32)OC(C=C2)(C)C)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-0.8621 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0694 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0694 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3087 1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3087 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6470 -0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1819 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4007 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4981 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0329 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2517 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9356 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1149 -0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1650 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 2 1 0 0 0 0
7 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 8 1 0 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 17 1 0 0 0 0
19 22 1 0 0 0 0
8 23 1 6 0 0 0
7 24 1 6 0 0 0
12 25 1 1 0 0 0
12 26 1 6 0 0 0
S SKP 8
ID FLIDHXNP0002
KNApSAcK_ID C00002531
NAME (-)-Glyceollin II
CAS_RN 67314-98-1
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c(O)5)cc(c(c5)1)C(C4)(O)C([H])(c(c3)c(O4)cc(c32)OC(C=C2)(C)C)O1
M END
